4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester
TL;DR: 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester (CAS 66570-76-1) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetylquinoline-4-carboxylate
Also Known As: methyl 2-acetylquinoline-4-carboxylate, 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester, 4-Quinolinecarboxylic acid, methyl ester, 4-Quinolinecarboxylic acid,2-acetyl-,methyl ester
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 66570-76-1 |
|---|---|
| SMILES | CC(=O)C1=NC2=CC=CC=C2C(=C1)C(=O)OC |
| InChIKey | KVRSKGPQHMTBEA-UHFFFAOYSA-N |
Product Overview
4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester (CAS 66570-76-1), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: methyl 2-acetylquinoline-4-carboxylate.
Chemical Property Profile of 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester
Property Insights of 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester. With a topological polar surface area (TPSA) of 56.3 Ų, 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester?
The CAS number of 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester is 66570-76-1.
What is the molecular formula of 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester?
The molecular formula of 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester is C13H11NO3.
What is the molecular weight of 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester?
The molecular weight of 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester is 229.07 g/mol.
Where can I buy 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester?
You can request a quote for 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Quinolinecarboxylic acid, 2-acetyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.